2CF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | F | sing | 1.35Å | 1.32Å | |
| C2 | C1 | doub | 1.31Å | 1.38Å | |
| C1 | C15 | sing | 1.51Å | 1.53Å | |
| C4 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.31Å | 1.36Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C14 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.56Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O1A | PA | sing | 1.61Å | 1.63Å | |
| PA | O2A | doub | 1.48Å | 1.59Å | |
| PA | O3A | sing | 1.61Å | 1.72Å | |
| PA | OB4 | sing | 1.61Å | 1.60Å | |
| OB2 | PB | doub | 1.48Å | 1.59Å | |
| PB | OB3 | sing | 1.61Å | 1.72Å | |
| PB | OB4 | sing | 1.61Å | 1.60Å | |
| PB | OB1 | sing | 1.61Å | 1.59Å | |
| C11 | C10 | doub | 1.31Å | 1.36Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C13 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | O1A | sing | 1.43Å | 1.44Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| O3A | HO3A | sing | 0.97Å | 0.95Å | |
| OB1 | HOB1 | sing | 0.97Å | 0.95Å | |
| OB3 | HOB3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C1 | C2 | 120.3° | 120.0° |
| F | C1 | C15 | 114.1° | 120.0° |
| C2 | C1 | C15 | 125.6° | 120.0° |
| C1 | C2 | C4 | 121.1° | 120.0° |
| C1 | C2 | C3 | 125.3° | 120.0° |
| C1 | C15 | O1A | 115.7° | 109.4° |
| C1 | C15 | H15 | 107.5° | 109.5° |
| C1 | C15 | H15A | 107.5° | 109.5° |
| C4 | C2 | C3 | 113.6° | 120.0° |
| C2 | C4 | H4 | 109.5° | 109.4° |
| C2 | C4 | H4A | 109.5° | 109.5° |
| C2 | C4 | H4B | 109.5° | 109.5° |
| C2 | C3 | C5 | 115.3° | 109.5° |
| C2 | C3 | H3 | 107.6° | 109.5° |
| C2 | C3 | H3A | 107.6° | 109.5° |
| C5 | C3 | H3 | 107.6° | 109.4° |
| C5 | C3 | H3A | 107.6° | 109.5° |
| C3 | C5 | C6 | 109.4° | 109.5° |
| C3 | C5 | H5 | 109.5° | 109.4° |
| C3 | C5 | H5A | 109.5° | 109.5° |
| H3 | C3 | H3A | 111.3° | 109.5° |
| H4 | C4 | H4A | 109.4° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C6 | C5 | H5A | 109.5° | 109.5° |
| C5 | C6 | C7 | 130.0° | 120.0° |
| C5 | C6 | H6 | 115.0° | 120.0° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| C7 | C6 | H6 | 115.0° | 120.0° |
| C6 | C7 | C14 | 124.5° | 120.0° |
| C6 | C7 | C8 | 123.4° | 120.1° |
| C14 | C7 | C8 | 112.1° | 120.0° |
| C7 | C14 | H14 | 109.5° | 109.4° |
| C7 | C14 | H14A | 109.5° | 109.5° |
| C7 | C14 | H14B | 109.5° | 109.5° |
| C7 | C8 | C9 | 120.6° | 109.5° |
| C7 | C8 | H8 | 105.9° | 109.5° |
| C7 | C8 | H8A | 105.9° | 109.4° |
| C9 | C8 | H8 | 105.9° | 109.5° |
| C9 | C8 | H8A | 105.9° | 109.4° |
| C8 | C9 | C10 | 115.7° | 109.5° |
| C8 | C9 | H9 | 107.4° | 109.5° |
| C8 | C9 | H9A | 107.5° | 109.4° |
| H8 | C8 | H8A | 112.8° | 109.5° |
| C10 | C9 | H9 | 107.5° | 109.5° |
| C10 | C9 | H9A | 107.4° | 109.4° |
| C9 | C10 | C11 | 128.9° | 120.0° |
| C9 | C10 | H10 | 115.5° | 120.0° |
| H9 | C9 | H9A | 111.4° | 109.5° |
| O1A | PA | O2A | 106.0° | 109.5° |
| O1A | PA | O3A | 113.3° | 109.5° |
| O1A | PA | OB4 | 110.6° | 109.5° |
| PA | O1A | C15 | 124.5° | 123.0° |
| O2A | PA | O3A | 110.0° | 109.5° |
| O2A | PA | OB4 | 104.2° | 109.5° |
| O3A | PA | OB4 | 112.2° | 109.5° |
| PA | O3A | HO3A | 109.5° | 114.0° |
| PA | OB4 | PB | 133.5° | 134.0° |
| OB2 | PB | OB3 | 110.8° | 109.5° |
| OB2 | PB | OB4 | 109.2° | 109.5° |
| OB2 | PB | OB1 | 105.5° | 109.5° |
| OB3 | PB | OB4 | 115.0° | 109.5° |
| OB3 | PB | OB1 | 112.1° | 109.5° |
| PB | OB3 | HOB3 | 109.5° | 114.0° |
| OB4 | PB | OB1 | 103.5° | 109.5° |
| PB | OB1 | HOB1 | 109.5° | 114.0° |
| C11 | C10 | H10 | 115.6° | 120.0° |
| C10 | C11 | C12 | 120.7° | 120.0° |
| C10 | C11 | C13 | 126.2° | 120.0° |
| C12 | C11 | C13 | 113.1° | 120.0° |
| C11 | C12 | H12 | 109.5° | 109.4° |
| C11 | C12 | H12A | 109.4° | 109.5° |
| C11 | C12 | H12B | 109.5° | 109.5° |
| C11 | C13 | H13 | 109.5° | 109.5° |
| C11 | C13 | H13A | 109.5° | 109.5° |
| C11 | C13 | H13B | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.4° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.4° |
| H13A | C13 | H13B | 109.4° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.4° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| O1A | C15 | H15 | 107.4° | 109.5° |
| O1A | C15 | H15A | 107.4° | 109.5° |
| H15 | C15 | H15A | 111.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C1 | C2 | C15 | 179.8° | 179.7° |
| F | C1 | C2 | C4 | 0.2° | 6.1° |
| F | C1 | C2 | C3 | 179.6° | 173.9° |
| F | C1 | C15 | O1A | 0.4° | 63.8° |
| F | C1 | C15 | H15 | 120.4° | 56.2° |
| F | C1 | C15 | H15A | 119.6° | 176.2° |
| C1 | C2 | C4 | C3 | 179.8° | 180.0° |
| C1 | C2 | C3 | C5 | 86.4° | 93.8° |
| C1 | C2 | C3 | H3 | 33.6° | 146.3° |
| C1 | C2 | C3 | H3A | 153.6° | 26.3° |
| C1 | C2 | C4 | H4 | 180.0° | 90.0° |
| C1 | C2 | C4 | H4A | 60.0° | 150.0° |
| C1 | C2 | C4 | H4B | 60.0° | 30.0° |
| C2 | C1 | C15 | O1A | 179.4° | 115.9° |
| C2 | C1 | C15 | H15 | 59.5° | 124.1° |
| C2 | C1 | C15 | H15A | 60.6° | 4.1° |
| C15 | C1 | C2 | C4 | 180.0° | 174.2° |
| C15 | C1 | C2 | C3 | 0.2° | 5.9° |
| C1 | C15 | O1A | PA | 115.4° | 180.0° |
| C1 | C15 | O1A | H15 | 120.0° | 120.0° |
| C1 | C15 | O1A | H15A | 120.0° | 120.0° |
| C1 | C15 | H15 | H15A | 117.5° | 120.0° |
| C4 | C2 | C3 | C5 | 93.9° | 86.3° |
| C4 | C2 | C3 | H3 | 146.1° | 33.7° |
| C4 | C2 | C3 | H3A | 26.1° | 153.7° |
| C2 | C4 | H4 | H4A | 120.0° | 120.0° |
| C2 | C4 | H4 | H4B | 120.0° | 120.0° |
| C2 | C4 | H4A | H4B | 120.0° | 120.0° |
| C2 | C3 | C5 | H3 | 120.0° | 120.0° |
| C2 | C3 | C5 | H3A | 120.0° | 120.1° |
| C2 | C3 | H3 | H3A | 117.6° | 120.0° |
| C3 | C2 | C4 | H4 | 0.2° | 90.0° |
| C3 | C2 | C4 | H4A | 119.8° | 30.0° |
| C3 | C2 | C4 | H4B | 120.2° | 150.0° |
| C2 | C3 | C5 | C6 | 112.0° | 180.0° |
| C2 | C3 | C5 | H5 | 128.0° | 60.0° |
| C2 | C3 | C5 | H5A | 8.0° | 59.9° |
| C5 | C3 | H3 | H3A | 117.6° | 120.0° |
| C3 | C5 | C6 | H5 | 120.0° | 120.0° |
| C3 | C5 | C6 | H5A | 120.0° | 120.0° |
| C3 | C5 | H5 | H5A | 120.0° | 120.0° |
| C3 | C5 | C6 | C7 | 119.8° | 126.4° |
| C3 | C5 | C6 | H6 | 60.2° | 53.7° |
| H3 | C3 | C5 | C6 | 8.1° | 60.0° |
| H3 | C3 | C5 | H5 | 111.9° | 180.0° |
| H3 | C3 | C5 | H5A | 128.1° | 60.0° |
| H3A | C3 | C5 | C6 | 128.0° | 60.0° |
| H3A | C3 | C5 | H5 | 8.0° | 60.0° |
| H3A | C3 | C5 | H5A | 112.0° | 180.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| C6 | C5 | H5 | H5A | 120.0° | 120.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C14 | 0.6° | 6.4° |
| C5 | C6 | C7 | C8 | 179.1° | 173.7° |
| H5 | C5 | C6 | C7 | 120.2° | 113.7° |
| H5 | C5 | C6 | H6 | 59.9° | 66.3° |
| H5A | C5 | C6 | C7 | 0.1° | 6.4° |
| H5A | C5 | C6 | H6 | 179.9° | 173.7° |
| C6 | C7 | C14 | C8 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 29.3° | 95.0° |
| C6 | C7 | C8 | H8 | 90.7° | 144.9° |
| C6 | C7 | C8 | H8A | 149.3° | 25.0° |
| C6 | C7 | C14 | H14 | 180.0° | 84.6° |
| C6 | C7 | C14 | H14A | 60.0° | 155.5° |
| C6 | C7 | C14 | H14B | 60.0° | 35.4° |
| H6 | C6 | C7 | C14 | 179.4° | 173.5° |
| H6 | C6 | C7 | C8 | 0.9° | 6.4° |
| C14 | C7 | C8 | C9 | 150.4° | 85.0° |
| C14 | C7 | C8 | H8 | 89.6° | 35.1° |
| C14 | C7 | C8 | H8A | 30.4° | 155.1° |
| C7 | C14 | H14 | H14A | 120.0° | 120.0° |
| C7 | C14 | H14 | H14B | 120.0° | 120.0° |
| C7 | C14 | H14A | H14B | 120.0° | 120.1° |
| C7 | C8 | C9 | H8 | 120.0° | 120.1° |
| C7 | C8 | C9 | H8A | 120.0° | 119.9° |
| C7 | C8 | H8 | H8A | 115.4° | 119.9° |
| C7 | C8 | C9 | C10 | 57.2° | 180.0° |
| C7 | C8 | C9 | H9 | 62.8° | 60.0° |
| C7 | C8 | C9 | H9A | 177.2° | 60.1° |
| C8 | C7 | C14 | H14 | 0.3° | 95.5° |
| C8 | C7 | C14 | H14A | 120.3° | 24.4° |
| C8 | C7 | C14 | H14B | 119.7° | 144.5° |
| C9 | C8 | H8 | H8A | 115.4° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 119.9° |
| C8 | C9 | H9 | H9A | 117.5° | 120.0° |
| C8 | C9 | C10 | C11 | 179.5° | 118.3° |
| C8 | C9 | C10 | H10 | 0.6° | 61.7° |
| H8 | C8 | C9 | C10 | 177.2° | 60.0° |
| H8 | C8 | C9 | H9 | 57.2° | 180.0° |
| H8 | C8 | C9 | H9A | 62.8° | 60.0° |
| H8A | C8 | C9 | C10 | 62.8° | 60.1° |
| H8A | C8 | C9 | H9 | 177.2° | 60.0° |
| H8A | C8 | C9 | H9A | 57.2° | 180.0° |
| C10 | C9 | H9 | H9A | 117.5° | 120.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.9° | 1.7° |
| C9 | C10 | C11 | C13 | 0.2° | 178.3° |
| H9 | C9 | C10 | C11 | 59.5° | 1.7° |
| H9 | C9 | C10 | H10 | 120.5° | 178.2° |
| H9A | C9 | C10 | C11 | 60.5° | 121.8° |
| H9A | C9 | C10 | H10 | 119.4° | 58.2° |
| O1A | PA | O2A | O3A | 122.8° | 120.0° |
| O1A | PA | O2A | OB4 | 116.7° | 120.0° |
| O1A | PA | O3A | OB4 | 126.0° | 120.0° |
| O1A | PA | OB4 | PB | 0.3° | 165.0° |
| PA | O1A | C15 | H15 | 124.6° | 60.0° |
| PA | O1A | C15 | H15A | 4.7° | 60.0° |
| O1A | PA | O3A | HO3A | 118.4° | 60.0° |
| O2A | PA | O3A | OB4 | 115.6° | 120.0° |
| O2A | PA | OB4 | PB | 113.8° | 45.0° |
| O2A | PA | O1A | C15 | 11.5° | 55.0° |
| O2A | PA | O3A | HO3A | 0.0° | 180.0° |
| O3A | PA | OB4 | PB | 127.2° | 75.0° |
| O3A | PA | O1A | C15 | 109.2° | 65.0° |
| PA | OB4 | PB | OB2 | 16.9° | 40.0° |
| PA | OB4 | PB | OB3 | 108.4° | 160.0° |
| PA | OB4 | PB | OB1 | 129.0° | 80.0° |
| OB4 | PA | O1A | C15 | 123.9° | 175.0° |
| OB4 | PA | O3A | HO3A | 115.6° | 60.0° |
| OB2 | PB | OB3 | OB4 | 124.5° | 120.0° |
| OB2 | PB | OB3 | OB1 | 117.7° | 120.0° |
| OB2 | PB | OB4 | OB1 | 112.0° | 120.0° |
| OB2 | PB | OB1 | HOB1 | 0.0° | 180.0° |
| OB2 | PB | OB3 | HOB3 | 0.0° | 60.0° |
| OB3 | PB | OB4 | OB1 | 122.6° | 120.0° |
| OB3 | PB | OB1 | HOB1 | 120.8° | 60.0° |
| OB4 | PB | OB1 | HOB1 | 114.7° | 60.0° |
| OB4 | PB | OB3 | HOB3 | 124.5° | 180.0° |
| OB1 | PB | OB3 | HOB3 | 117.7° | 60.0° |
| C10 | C11 | C12 | C13 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 84.8° |
| C10 | C11 | C12 | H12A | 60.0° | 155.2° |
| C10 | C11 | C12 | H12B | 60.0° | 35.2° |
| C10 | C11 | C13 | H13 | 180.0° | 0.0° |
| C10 | C11 | C13 | H13A | 60.0° | 120.0° |
| C10 | C11 | C13 | H13B | 60.0° | 120.0° |
| H10 | C10 | C11 | C12 | 0.1° | 178.3° |
| H10 | C10 | C11 | C13 | 179.8° | 1.6° |
| C11 | C12 | H12 | H12A | 120.0° | 120.0° |
| C11 | C12 | H12 | H12B | 120.0° | 120.0° |
| C11 | C12 | H12A | H12B | 120.0° | 120.0° |
| C12 | C11 | C13 | H13 | 0.0° | 180.0° |
| C12 | C11 | C13 | H13A | 120.0° | 60.0° |
| C12 | C11 | C13 | H13B | 120.0° | 60.0° |
| C13 | C11 | C12 | H12 | 0.0° | 95.3° |
| C13 | C11 | C12 | H12A | 120.0° | 24.8° |
| C13 | C11 | C12 | H12B | 120.0° | 144.8° |
| C11 | C13 | H13 | H13A | 120.0° | 120.0° |
| C11 | C13 | H13 | H13B | 120.0° | 120.0° |
| C11 | C13 | H13A | H13B | 120.0° | 120.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 119.9° |
| O1A | C15 | H15 | H15A | 117.4° | 120.0° |
